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Cycloheptanone, 2-(phenylmethylene)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Cycloheptanone, 2-(phenylmethylene)-
SpectraBase Compound ID 3pLXud0hbqc
InChI InChI=1S/C14H16O/c15-14-10-6-2-5-9-13(14)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11-
InChIKey BQCRDGOBIZRDJH-QBFSEMIESA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H16O
Exact Mass 200.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ESq42vaZ1iL
Name Cycloheptanone, 2-(phenylmethylene)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.120115134 u
Formula C14H16O
InChI InChI=1S/C14H16O/c15-14-10-6-2-5-9-13(14)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11-
InChIKey BQCRDGOBIZRDJH-QBFSEMIESA-N
Molecular Weight 200.281 g/mol
SMILES C1CCCC\C(C1=O)=C\c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966174